Nonadiabatic superconductivity in Li-intercalated hexagonal boron nitride bilayer

High $T_c$ superconductivity in MgB$_2$ by nonadiabatic pairing

The evidence for the key role of the $σ$ bands in the electronic properties of MgB$_2$ points to the possibility of nonadiabatic effects in the superconductivity of these materials. These are governed by the small value of the Fermi energy due to the vicinity of the hole doping level to the top of the $σ$ bands. We show that the nonadiabatic theory leads to a coherent interpretation of $T_c = 39$ K and the boron isotope coefficient $α_{\rm B} = 0.30$ without invoking very large couplings and it naturally explains the role of the disorder on $T_c$. It also leads to various specific predictions …

插层双层硼烯相中超导电性的第一性原理探索

First-principles exploration of superconductivity in intercalated bilayer borophene phases

本研究通过第一性原理和Eliashberg计算，探索了插层双层硼烯的超导电性，发现碱土金属插层可显著提高临界温度，最高达58 K，且比单层更稳定，为二维硼基超导体开发提供了新途径。

Toward possibility of high-temperature bipolaronic superconductivity in boron tubular polymorph: Theoretical aspects of transition into anti-adiabatic state

Large diameter single-wall boron nanotubes (SWBNT) produced by 2%Mg-mesoporous Al2O3 catalysis show diamagnetic transition at ~ 40 K and ~ 80 K, which is a serious indication for possible superconductivity (J.Phys.Chem.C113, (2009) 17661). Theoretical study which explains or disproves possibility of superconductivity in boron is so far absent, however. Here we apply first-principles formulation of nonadiabatic theory of electron-vibration interactions in study of band structure of boron nanotubes. The ab initio results show that electron-vibration coupling induces in SWBNT with diameter larger…

Prediction of phonon-mediated high temperature superconductivity in stoichiometric Li$_2$B$_3$C

The discovery of superconductivity in Magnesium Diborate (MgB$_2$) has stimulated great interest in the search of new superconductors with similar lattice structures. Unlike cuprate or iron-based superconductors, MgB$_2$ is indisputably a phonon-mediated high temperature superconductor. The emergence of high temperature superconductivity in this material results from the strong coupling between the boron $σ$-bonding electrons around the Fermi level and the bond-stretching optical phonon modes. Here we show, based on the first-principles calculations, that Li$_2$B$_3$C is such a good candidate …

Nonadiabatiic superconductivity in MgB2 and cuprates

The Fermi energy, Ef of newly discovered high-Tc superconductor MgB2 and cuprates is estimated from the measured London penetration depth using a parameter-free expression. Ef of MgB2 and more than 30 lanthanum, yttrium and mercury-based cuprates appears to be about or below 100 meV, depending on doping. There is every evidence that the remarkable low value of Ef and the strong coupling of carriers with high-frequency phonons is the cause of high Tc in all newly discovered superconductors. Taking into account that the carriers mainly reside on oxygen in cuprates, on boron in magnesium diborade…

Vibrational spectrum and electron-phonon coupling of doped solid picene from first principles

We study superconductivity in doped solid picene (C22H14) with linear response calculations of the phonon spectrum and electron-phonon (ep) interaction. We show that the coupling of the high-energy C bond-stretching phonons to the π molecular orbitals for a doping of ~3 electrons per picene molecule is sufficiently strong to reproduce the experimental Tc of 18 K within Migdal-Eliashberg theory. For hole doping, we predict a similar coupling leading to a maximum Tc of 6 K. However, we argue that, due to its molecular nature, picene may belong to the same class of strongly correlated ep supercon…